SCHEMBL20132851

SCHEMBL20132851

Cc1cc(O)cc(C(C)(C)C)c1Cc1ccc2c(C(C)(C)C)cc(O)cc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 5/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MIF P14174 1/20 0.34
▸ TYR P14679 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NFE2L2 Q16236 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ NQO1 P15559 3/20 0.33
▸ THRA P10827 2/20 0.33
▸ THRB P10828 2/20 0.33
▸ PTPN1 P18031 1/20 0.32
▸ CYP2C19 P33261 5/20 0.32
▸ HIF1A Q16665 3/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ TP53 P04637 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10891430 0.79 CYP2C9 (0.46) CYP2C9HSD17B10LMNANR1I2ALDH1A1
SCHEMBL12620456 0.75 CYP2C19 (0.47) CYP2C9HSD17B10LMNAALDH1A1TYR
SCHEMBL9007185 0.73 LMNA (0.48) CYP2C9HSD17B10LMNANR1I2ALDH1A1
SCHEMBL11087884 0.73 THRA (0.44) CYP2C9HSD17B10LMNANR1I2ALDH1A1
SCHEMBL8518795 0.72 CYP2C9 (0.40) CYP2C9HSD17B10LMNANR1I2ALDH1A1
SCHEMBL27861556 0.71 ALOX15 (0.43) CYP2C9HSD17B10LMNANR1I2ALDH1A1
SCHEMBL11685439 0.68 ALDH1A1 (0.42) CYP2C9HSD17B10LMNANR1I2ALDH1A1
SCHEMBL68860 0.68 CYP2C9 (0.48) CYP2C9HSD17B10LMNANR1I2ALDH1A1
SCHEMBL8655702 0.68 NQO2 (0.55) CYP2C9HSD17B10LMNANR1I2ALDH1A1
SCHEMBL27745048 0.67 HTT (0.43) CYP2C9HSD17B10LMNANR1I2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2018-05-10 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS CYP2C9 3239/4885HSD17B10 4683/4885LMNA 1259/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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